| Properties | Image |
|---|
| MNX_ID | MNXM1123844 |
 |
| reference | chebi:161246 |
| formula | C18H28N6O4 |
| global charge | 0 |
| mol weight | 392.46 |
| InChIKey | JVTMTFMMMHAPCR-UBHSHLNASA-N |
| InChI | InChI=1S/C18H28N6O4/c1-11(23-16(26)13(19)10-12-6-3-2-4-7-12)15(25)24-14(17(27)28)8-5-9-22-18(20)21/h2-4,6-7,11,13-14H,5,8-10,19H2,1H3,(H,23,26)(H,24,25)(H,27,28)(H4,20,21,22)/t11-,13-,14-/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@@H](N)CC1=CC=CC=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C18H28N6O4/c1-11(23-16(26)13(19)10-12-6-3-2-4-7-12)15(25)24-14(17(27)28)8-5-9-22-18(20)21/h2-4,6-7,11,13-14H,5,8-10,19H2,1H3,(H,23,26)(H,24,25)(H,27,28)(H4,20,21,22)/t11-,13-,14-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:11]([C:15](=[N:24][C@@H:14]([CH2:8][CH2:5][CH2:9][NH:22][C:18](=[NH:20])[NH2:21])[C:17](=[O:27])[OH:28])[OH:25])[N:23]=[C:16]([C@H:13]([CH2:10][C:12]1=[CH:6][CH:3]=[CH:2][CH:4]=[CH:7]1)[NH2:19])[OH:26] |
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